N-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]acetamide

C14H18N6O2 — CID 71765708

IUPACN-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1c[nH]n(-c2cc(N3CCCCC3)ncn2)c1=O
InChIInChI=1S/C14H18N6O2/c1-10(21)18-11-8-17-20(14(11)22)13-7-12(15-9-16-13)19-5-3-2-4-6-19/h7-9,17H,2-6H2,1H3,(H,18,21)
InChIKeyYMLRRIWUASPAQW-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.90
Rot. Bonds3

About N-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]acetamide

N-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]acetamide (PubChem CID 71765708) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]acetamide
PubChem CID71765708
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC NameN-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1c[nH]n(-c2cc(N3CCCCC3)ncn2)c1=O
InChIInChI=1S/C14H18N6O2/c1-10(21)18-11-8-17-20(14(11)22)13-7-12(15-9-16-13)19-5-3-2-4-6-19/h7-9,17H,2-6H2,1H3,(H,18,21)
InChIKeyYMLRRIWUASPAQW-UHFFFAOYSA-N
XLogP0.90
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]acetamide?
The IUPAC name of N-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]acetamide (CID 71765708) is N-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for N-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]acetamide is CC(=O)Nc1c[nH]n(-c2cc(N3CCCCC3)ncn2)c1=O.
What is the InChIKey of N-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]acetamide?
The InChIKey is YMLRRIWUASPAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-10(21)18-11-8-17-20(14(11)22)13-7-12(15-9-16-13)19-5-3-2-4-6-19/h7-9,17H,2-6H2,1H3,(H,18,21).
What are the key properties of N-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]acetamide?
N-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]acetamide has a molecular weight of 302.34 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-2-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 71765708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).